SCHEMBL4284333

SCHEMBL4284333

N#CCCNC(=O)c1nn(C2CCCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 4/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4292693 0.84 CD274 (0.40) CD274ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3586962 0.84 ALDH1A1 (0.41) L3MBTL1CD274KMT2AALDH1A1MEN1
SCHEMBL4288424 0.80 CD274 (0.37) CD274KMT2AALDH1A1RAB9AMAPT
SCHEMBL14511668 0.79 L3MBTL1 (0.43) L3MBTL1CD274KMT2AALDH1A1MEN1
SCHEMBL2804353 0.79 HCAR3 (0.38) L3MBTL1CD274KMT2AALDH1A1MEN1
SCHEMBL4284325 0.79 CD274 (0.36) CD274ABL1
SCHEMBL13375094 0.78 ALDH1A1 (0.36) L3MBTL1CD274KMT2AALDH1A1MEN1
SCHEMBL3576511 0.78 ALDH1A1 (0.40) L3MBTL1KMT2AALDH1A1MEN1RAB9A
SCHEMBL3583343 0.78 ALDH1A1 (0.41) L3MBTL1CD274KMT2AALDH1A1MEN1
SCHEMBL28492553 0.78 MCL1 (0.37) L3MBTL1CD274KMT2AALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP L3MBTL1 3482/4885CD274 2230/4885KMT2A 871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.